2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline

C24H26N6O — CID 70763325

IUPAC2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline
SMILESc1ccc2nc(N3CCC4(CCCN4Cc4ccc(-c5ccn[nH]5)o4)CC3)cnc2c1
InChIInChI=1S/C24H26N6O/c1-2-5-20-19(4-1)25-16-23(27-20)29-14-10-24(11-15-29)9-3-13-30(24)17-18-6-7-22(31-18)21-8-12-26-28-21/h1-2,4-8,12,16H,3,9-11,13-15,17H2,(H,26,28)
InChIKeyDOHFIEPQWFONSF-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.25
Rot. Bonds4

About 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline

2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline (PubChem CID 70763325) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline
PubChem CID70763325
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline
SMILESc1ccc2nc(N3CCC4(CCCN4Cc4ccc(-c5ccn[nH]5)o4)CC3)cnc2c1
InChIInChI=1S/C24H26N6O/c1-2-5-20-19(4-1)25-16-23(27-20)29-14-10-24(11-15-29)9-3-13-30(24)17-18-6-7-22(31-18)21-8-12-26-28-21/h1-2,4-8,12,16H,3,9-11,13-15,17H2,(H,26,28)
InChIKeyDOHFIEPQWFONSF-UHFFFAOYSA-N
XLogP4.25
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline?
The IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline (CID 70763325) is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline.
What is the SMILES notation for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline?
The canonical SMILES for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline is c1ccc2nc(N3CCC4(CCCN4Cc4ccc(-c5ccn[nH]5)o4)CC3)cnc2c1.
What is the InChIKey of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline?
The InChIKey is DOHFIEPQWFONSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-2-5-20-19(4-1)25-16-23(27-20)29-14-10-24(11-15-29)9-3-13-30(24)17-18-6-7-22(31-18)21-8-12-26-28-21/h1-2,4-8,12,16H,3,9-11,13-15,17H2,(H,26,28).
What are the key properties of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline?
2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline has a molecular weight of 414.51 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]quinoxaline is sourced from PubChem (CID 70763325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).